UCSF

ZINC12549800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 9.25 -15.88 0 6 0 50 392.894 3
Lo Low (pH 4.5-6) 3.21 11.15 -119.31 2 6 2 52 394.91 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )